WebMO Job Summary

385712: F2, Coordinate Scan - Gaussian

Calculated Quantities

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Overview

Quantity Value
Route #N B3LYP/6-311+G(2d,p) SCAN NOSYMMETRY
Method B3LYP
Stoichiometry F2
Symmetry D*H
Basis 6-311+G(2d,p)
RB3LYP Energy -199.385914964 Hartree
Dipole Moment 0.0000 Debye
Server class (387295)
CPU time 932.7 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 0.0000000 0.00000000000
b 2.1280905 0.07098545821
c 2.1280905 0.07098545821

Partial Charges

Atom Symbol Charge
1 F 0.000000  
2 F -0.000000  

Coordinate Scan

Coordinate Energy (au)  
0.8000 -198.45200  
0.8420 -198.72590  
0.8840 -198.93713  
0.9260 -199.10004  
0.9680 -199.22554  
1.0100 -199.32191  
1.0520 -199.39553  
1.0940 -199.45131  
1.1360 -199.49306  
1.1780 -199.52375  
1.2200 -199.54573  
1.2620 -199.56084  
1.3040 -199.57052  
1.3460 -199.57595  
1.3880 -199.57804  
1.4300 -199.57755  
1.4720 -199.57505  
1.5140 -199.57102  
1.5560 -199.56586  
1.5980 -199.55986  
1.6400 -199.55328  
1.6820 -199.54631  
1.7240 -199.53912  
1.7660 -199.53183  
1.8080 -199.52455  
1.8500 -199.51735  
1.8920 -199.51030  
1.9340 -199.50343  
1.9760 -199.49678  
2.0180 -199.49038  
2.0600 -199.48424  
2.1020 -199.47836  
2.1440 -199.47276  
2.1860 -199.46743  
2.2280 -199.46237  
2.2700 -199.45759  
2.3120 -199.45306  
2.3540 -199.44880  
2.3960 -199.44478  
2.4380 -199.44101  
2.4800 -199.43746  
2.5220 -199.43414  
2.5640 -199.43104  
2.6060 -199.42813  
2.6480 -199.42542  
2.6900 -199.42288  
2.7320 -199.42051  
2.7740 -199.41831  
2.8160 -199.41625  
2.8580 -199.41433  
2.9000 -199.41253  
2.9420 -199.41086  
2.9840 -199.40929  
3.0260 -199.40783  
3.0680 -199.40646  
3.1100 -199.40518  
3.1520 -199.40398  
3.1940 -199.40286  
3.2360 -199.40181  
3.2780 -199.40082  
3.3200 -199.39989  
3.3620 -199.39902  
3.4040 -199.39820  
3.4460 -199.39743  
3.4880 -199.39671  
3.5300 -199.39603  
3.5720 -199.39539  
3.6140 -199.39478  
3.6560 -199.39422  
3.6980 -199.39369  
3.7400 -199.39318  
3.7820 -199.39271  
3.8240 -199.39227  
3.8660 -199.39185  
3.9080 -199.39146  
3.9500 -199.39108  
3.9920 -199.39073  
4.0340 -199.39040  
4.0760 -199.39008  
4.1180 -199.38979  
4.1600 -199.38950  
4.2020 -199.38924  
4.2440 -199.38898  
4.2860 -199.38874  
4.3280 -199.38852  
4.3700 -199.38830  
4.4120 -199.38809  
4.4540 -199.38789  
4.4960 -199.38770  
4.5380 -199.38752  
4.5800 -199.38734  
4.6220 -199.38717  
4.6640 -199.38701  
4.7060 -199.38686  
4.7480 -199.38671  
4.7900 -199.38657  
4.8320 -199.38643  
4.8740 -199.38629  
4.9160 -199.38616  
4.9580 -199.38604  
5.0000 -199.38591  
Animation speed  
Loop  

Quote

Standing in the middle of the road is very dangerous; you get knocked down by the traffic from both sides. -- Margaret Thatcher